N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-20-9-11-21(12-10-20)16-7-5-15(6-8-16)19-18(23)14-3-2-4-17(13-14)22(24)25/h2-8,13H,9-12H2,1H3,(H,19,23)/p+1